N-(2-pyridin-3-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine

C20H16F3N5O — CID 57399974

IUPACN-(2-pyridin-3-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESFC(F)(F)Oc1cccc(-c2cnc3ccc(NCCc4cccnc4)nn23)c1
InChIInChI=1S/C20H16F3N5O/c21-20(22,23)29-16-5-1-4-15(11-16)17-13-26-19-7-6-18(27-28(17)19)25-10-8-14-3-2-9-24-12-14/h1-7,9,11-13H,8,10H2,(H,25,27)
InChIKeyBKFNTBKNZLBZEU-UHFFFAOYSA-N
MW399.38 g/mol
LogP4.34
Rot. Bonds6

About N-(2-pyridin-3-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine

N-(2-pyridin-3-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 57399974) has the molecular formula C20H16F3N5O and a molecular weight of 399.38 g/mol. Its IUPAC name is N-(2-pyridin-3-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(2-pyridin-3-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID57399974
Molecular FormulaC20H16F3N5O
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC NameN-(2-pyridin-3-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESFC(F)(F)Oc1cccc(-c2cnc3ccc(NCCc4cccnc4)nn23)c1
InChIInChI=1S/C20H16F3N5O/c21-20(22,23)29-16-5-1-4-15(11-16)17-13-26-19-7-6-18(27-28(17)19)25-10-8-14-3-2-9-24-12-14/h1-7,9,11-13H,8,10H2,(H,25,27)
InChIKeyBKFNTBKNZLBZEU-UHFFFAOYSA-N
XLogP4.34
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(2-pyridin-3-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine (CID 57399974) is N-(2-pyridin-3-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(2-pyridin-3-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(2-pyridin-3-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine is FC(F)(F)Oc1cccc(-c2cnc3ccc(NCCc4cccnc4)nn23)c1.
What is the InChIKey of N-(2-pyridin-3-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is BKFNTBKNZLBZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O/c21-20(22,23)29-16-5-1-4-15(11-16)17-13-26-19-7-6-18(27-28(17)19)25-10-8-14-3-2-9-24-12-14/h1-7,9,11-13H,8,10H2,(H,25,27).
What are the key properties of N-(2-pyridin-3-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
N-(2-pyridin-3-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 399.38 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 57399974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).